3O5P

Fk1 domain mutant A19T of FKBP51, crystal form IV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-18
Detector	MARRESEARCH
Wavelength(s)	0.972
Spacegroup name	P 21 21 21
Unit cell lengths	42.289, 54.302, 56.647
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.000
R-factor	0.116
Rwork	0.112
R-free	0.14700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o5p
RMSD bond length	0.014
RMSD bond angle	0.030
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.19)
Phasing software	MOLREP
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.200	25.110	1.000
High resolution limit [Å]	0.950	3.000	0.950
Rmerge	0.044	0.032	0.273
Total number of observations		15574	8553
Number of reflections	65715
<I/σ(I)>	21	16.2	2.7
Completeness [%]	79.6	99.5	31.4
Redundancy	4.2	5.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	25 % PEG3350, 0.2 M NH4OAc, 0.1 M HEPES, pH 7.5, vapor diffusion, temperature 293K