2OWP

Crystal structure of a cystatin-like fold protein (bxe_b1374) from burkholderia xenovorans lb400 at 2.00 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97891
Spacegroup name	P 31 2 1
Unit cell lengths	80.518, 80.518, 116.256
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.894 - 2.000
R-factor	0.194
Rwork	0.192
R-free	0.23600
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.501
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.894	29.910	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.133	0.061	0.760
Total number of observations		2293	16098
Number of reflections	29640
<I/σ(I)>	4.9	9.9	1
Completeness [%]	98.9	96.8	98
Redundancy	7.4	6.1	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	NANODROP, 0.8M K2HPO4, 0.2M Li2SO4, 1.2M NaH2PO4, 0.1M CAPS pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K