1T2J

Crystal structure of a Human VH domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-05
Detector	MARRESEARCH
Wavelength(s)	0.802
Spacegroup name	C 1 2 1
Unit cell lengths	71.336, 37.965, 37.187
Unit cell angles	90.00, 109.67, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.15979
Rwork	0.158
R-free	0.19652
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1HOU
RMSD bond length	0.018
RMSD bond angle	1.735
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.922	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.047	0.214
Number of reflections	15017
<I/σ(I)>	27.69	7.26
Completeness [%]	90.7	92.9
Redundancy	4.29	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	Crystals grew from 3 microlitre hangingdrop formed by mixing 1.5 microlitre of protein:subtilisin mixture (250:1 M ratio) at protein conc. 13.5 mg/ml with 1.5 microlitre of reservoir solution 100mM MES, pH6.5, 10mM ZnSO4, 25% v/v PEG550MME, 4mM DTT and 0.04% v/v NaN3, VAPOR DIFFUSION, HANGING DROP, temperature 277K