1K6S

STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH A PHENYLBORONIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2000-10-13
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	48.245, 95.787, 125.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.200 - 2.030
R-factor	0.196
Rwork	0.196
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k4f
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.600	2.140
High resolution limit [Å]	2.000	2.030
Number of reflections	37897
<I/σ(I)>	7.2	3.7
Completeness [%]	99.2	96.7
Redundancy	4.5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	AMMONIUM SULFATE, CALCIUM CHLORIDE, BICINE PH 9; SOAKING AT PH 7 WITH HEPES, PEG400, 4-IODO-ACETAMIDO PHEYLBORONIC ACID, VAPOR DIFFUSION, HANGING DROP, temperature 293K