4WHI

Crystal structure of C-terminal domain of penicillin binding protein Rv0907

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-10
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.91951
Spacegroup name	P 21 21 21
Unit cell lengths	35.305, 49.839, 59.345
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.170 - 1.700
R-factor	0.1626
Rwork	0.160
R-free	0.20530
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.172
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.099	0.089	0.686
Total number of observations	78779
Number of reflections	11971
<I/σ(I)>	11.5
Completeness [%]	99.8	97.4	99.8
Redundancy	6.6	5.9	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	297	10mM Magnesium Chloride 5mM Nickel Chloride 0.1M HEPES 15% PEG3350