2OLU

Structural Insight Into the Transglycosylation Step Of Bacterial Cell Wall Biosynthesis : Apoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	70.495, 249.891, 103.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.600 - 2.900
R-factor	0.194
Rwork	0.191
R-free	0.24600
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.507
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.600	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.132	0.431
Total number of observations		12734
Number of reflections	20671
<I/σ(I)>	4.9	1.8
Completeness [%]	99.9	99.9
Redundancy	4.2	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	100mM hepes, 0.2M KCl, 4% PEG 8000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K